HMDB0035811 RDKit 3D Shyobunol 42 42 0 0 0 0 0 0 0 0999 V2000 -2.8568 -1.7410 1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7123 -1.1287 0.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4747 -0.5503 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 -0.2995 -1.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6987 -1.5941 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7003 -1.7657 -0.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -0.4474 -0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8889 -0.6242 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5793 0.7214 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1103 -1.3381 0.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7087 0.5014 0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3562 1.7211 0.3736 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6717 0.7097 -0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3472 1.8922 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5482 2.9361 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8315 2.0032 1.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5917 -1.7935 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1219 -2.1978 2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0092 -1.1041 1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5103 0.2380 -0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -1.2531 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 0.3786 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 -2.5500 -1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -1.3151 -2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 -2.4435 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7062 -2.1989 0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -0.0279 -1.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3484 -1.2448 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1068 1.3620 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6322 0.5635 -0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6188 1.1982 0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -1.4742 1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8777 -0.7623 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 -2.3549 0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5558 0.0761 1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3213 2.0430 1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4407 0.8962 -1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0352 3.8103 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2241 2.9319 -1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0084 1.0589 2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8243 2.5308 1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0786 2.6365 2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 7 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 3 14 16 1 0 13 3 1 0 1 17 1 0 1 18 1 0 2 19 1 0 4 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 12 36 1 0 13 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 M END